N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine

C29H33N3 — CID 67835436

IUPACN,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
SMILESCC(c1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12)C1CCCN1C
InChIInChI=1S/C29H33N3/c1-22(29-14-9-17-31(29)2)27-19-30-28-16-15-25(18-26(27)28)32(20-23-10-5-3-6-11-23)21-24-12-7-4-8-13-24/h3-8,10-13,15-16,18-19,22,29-30H,9,14,17,20-21H2,1-2H3
InChIKeyPSOPFWONHACQJC-UHFFFAOYSA-N
MW423.60 g/mol
LogP6.57
Rot. Bonds7

About N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine

N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine (PubChem CID 67835436) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
PubChem CID67835436
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC NameN,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
SMILESCC(c1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12)C1CCCN1C
InChIInChI=1S/C29H33N3/c1-22(29-14-9-17-31(29)2)27-19-30-28-16-15-25(18-26(27)28)32(20-23-10-5-3-6-11-23)21-24-12-7-4-8-13-24/h3-8,10-13,15-16,18-19,22,29-30H,9,14,17,20-21H2,1-2H3
InChIKeyPSOPFWONHACQJC-UHFFFAOYSA-N
XLogP6.57
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
N,N-dibenzyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine
CID 67835432
2-benzhydryl-1-methylpyrrolidine
CID 71178925
(2S,4S)-N-benzyl-1-methyl-N-phenyl-2-propan-2-ylpiperidin-4-amine
CID 101230491
3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole
CID 173297416
2-[3-[[3-[hydroxy-(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]oxy]propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 177026527
3-(aziridin-2-yl)-N-benzyl-N-piperidin-4-yl-1H-indol-5-amine
CID 163522124
ethyl 5-(dibenzylamino)-3-methyl-1H-indole-2-carboxylate
CID 102170436
N-benzyl-1-[2-fluoro-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]propyl]-N-methylpiperidin-4-amine
CID 57034039
N,N-dibenzyl-4-[cyclohexyl-[4-(dibenzylamino)phenyl]methyl]aniline
CID 54145611
2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159942
2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83987539

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The IUPAC name of N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine (CID 67835436) is N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine is CC(c1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12)C1CCCN1C.
What is the InChIKey of N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
The InChIKey is PSOPFWONHACQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3/c1-22(29-14-9-17-31(29)2)27-19-30-28-16-15-25(18-26(27)28)32(20-23-10-5-3-6-11-23)21-24-12-7-4-8-13-24/h3-8,10-13,15-16,18-19,22,29-30H,9,14,17,20-21H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine?
N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine has a molecular weight of 423.60 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[1-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 67835436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).